N-(1-amino-2,2-dimethylpropylidene)butanamide

C9H18N2O — CID 130627742

IUPACN-(1-amino-2,2-dimethylpropylidene)butanamide
SMILESCCCC(=O)/N=C(\N)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-7(12)11-8(10)9(2,3)4/h5-6H2,1-4H3,(H2,10,11,12)
InChIKeyNBBYZECKHKYYNC-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.72
Rot. Bonds2

About N-(1-amino-2,2-dimethylpropylidene)butanamide

N-(1-amino-2,2-dimethylpropylidene)butanamide (PubChem CID 130627742) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(1-amino-2,2-dimethylpropylidene)butanamide.

Molecular Properties

Compound NameN-(1-amino-2,2-dimethylpropylidene)butanamide
PubChem CID130627742
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(1-amino-2,2-dimethylpropylidene)butanamide
SMILESCCCC(=O)/N=C(\N)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-7(12)11-8(10)9(2,3)4/h5-6H2,1-4H3,(H2,10,11,12)
InChIKeyNBBYZECKHKYYNC-UHFFFAOYSA-N
XLogP1.72
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(1-amino-2,2-dimethylpropylidene)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,2-dimethylpropylidene)butanamide?
The IUPAC name of N-(1-amino-2,2-dimethylpropylidene)butanamide (CID 130627742) is N-(1-amino-2,2-dimethylpropylidene)butanamide.
What is the SMILES notation for N-(1-amino-2,2-dimethylpropylidene)butanamide?
The canonical SMILES for N-(1-amino-2,2-dimethylpropylidene)butanamide is CCCC(=O)/N=C(\N)C(C)(C)C.
What is the InChIKey of N-(1-amino-2,2-dimethylpropylidene)butanamide?
The InChIKey is NBBYZECKHKYYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-6-7(12)11-8(10)9(2,3)4/h5-6H2,1-4H3,(H2,10,11,12).
What are the key properties of N-(1-amino-2,2-dimethylpropylidene)butanamide?
N-(1-amino-2,2-dimethylpropylidene)butanamide has a molecular weight of 170.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,2-dimethylpropylidene)butanamide is sourced from PubChem (CID 130627742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).